(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

C17H19N3O4 — CID 95708650

IUPAC(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1
InChIInChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1
InChIKeyOHFUKVYNEJWDRM-KRWDZBQOSA-N
MW329.36 g/mol
LogP2.93
Rot. Bonds1

About (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide

(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (PubChem CID 95708650) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.

Molecular Properties

Compound Name(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
PubChem CID95708650
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
SMILESO=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1
InChIInChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1
InChIKeyOHFUKVYNEJWDRM-KRWDZBQOSA-N
XLogP2.93
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The IUPAC name of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide (CID 95708650) is (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide.
What is the SMILES notation for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The canonical SMILES for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is O=C1NC[C@@]2(CCCN(C(=O)Nc3ccc4occc4c3)CC2)O1.
What is the InChIKey of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
The InChIKey is OHFUKVYNEJWDRM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19N3O4/c21-15(19-13-2-3-14-12(10-13)4-9-23-14)20-7-1-5-17(6-8-20)11-18-16(22)24-17/h2-4,9-10H,1,5-8,11H2,(H,18,22)(H,19,21)/t17-/m0/s1.
What are the key properties of (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide?
(5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 2.93, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1-benzofuran-5-yl)-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide is sourced from PubChem (CID 95708650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).